3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole

C52H44N8O2 — CID 44530455

IUPAC3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
SMILESc1ccc(COc2ccc(Cn3ccc(-c4ccc(-n5ccnc5)cc4)n3)cc2)cc1.c1ccc(COc2ccc(Cn3nccc3-c3ccc(-n4ccnc4)cc3)cc2)cc1
InChIInChI=1S/2C26H22N4O/c1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-16-14-26(28-30)23-8-10-24(11-9-23)29-17-15-27-20-29;1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-26(14-15-28-30)23-8-10-24(11-9-23)29-17-16-27-20-29/h2*1-17,20H,18-19H2
InChIKeyDJUJDBDQETUGRR-UHFFFAOYSA-N
MW812.98 g/mol
LogP10.73
Rot. Bonds14

About 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole

3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole (PubChem CID 44530455) has the molecular formula C52H44N8O2 and a molecular weight of 812.98 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
PubChem CID44530455
Molecular FormulaC52H44N8O2
Molecular Weight812.98 g/mol
Exact Mass812.36
IUPAC Name3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
SMILESc1ccc(COc2ccc(Cn3ccc(-c4ccc(-n5ccnc5)cc4)n3)cc2)cc1.c1ccc(COc2ccc(Cn3nccc3-c3ccc(-n4ccnc4)cc3)cc2)cc1
InChIInChI=1S/2C26H22N4O/c1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-16-14-26(28-30)23-8-10-24(11-9-23)29-17-15-27-20-29;1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-26(14-15-28-30)23-8-10-24(11-9-23)29-17-16-27-20-29/h2*1-17,20H,18-19H2
InChIKeyDJUJDBDQETUGRR-UHFFFAOYSA-N
XLogP10.73
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.98
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[4-[5-butyl-1-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 166632549
4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
CID 41673734
1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16189954
N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 16190023
3-(1-Methylpyrazol-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960800
4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]triazole
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4-Phenyl-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine
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2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 164610710
1-[(3-Iodophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164620399
1-But-3-en-2-yl-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164624743
1-[(4-Fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164625835
1-[(3,5-Dimethylphenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole (CID 44530455) is 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole is c1ccc(COc2ccc(Cn3ccc(-c4ccc(-n5ccnc5)cc4)n3)cc2)cc1.c1ccc(COc2ccc(Cn3nccc3-c3ccc(-n4ccnc4)cc3)cc2)cc1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The InChIKey is DJUJDBDQETUGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N4O/c1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-16-14-26(28-30)23-8-10-24(11-9-23)29-17-15-27-20-29;1-2-4-22(5-3-1)19-31-25-12-6-21(7-13-25)18-30-26(14-15-28-30)23-8-10-24(11-9-23)29-17-16-27-20-29/h2*1-17,20H,18-19H2.
What are the key properties of 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole has a molecular weight of 812.98 g/mol, XLogP of 10.73, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 44530455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).